| SpectraBase Compound ID | JsJ9svUQd50 |
|---|---|
| InChI | InChI=1S/2C42H52N2O20/c2*1-20(45)43-33-30(58-22(3)47)17-42(41(53)55-9,64-38(33)36(61-25(6)50)31(59-23(4)48)18-56-21(2)46)57-19-32-35(60-24(5)49)37(62-26(7)51)34(40(54-8)63-32)44-39(52)29-15-14-27-12-10-11-13-28(27)16-29/h2*10-16,30-38,40H,17-19H2,1-9H3,(H,43,45)(H,44,52)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,40+,42+;30-,31-,32+,33+,34+,35+,36+,37+,38+,40+,42-/m00/s1 |
| InChIKey | BHCJRYDTUHKECP-NKYAGSMYSA-N |
| Mol Weight | 1809.7 g/mol |
| Molecular Formula | C84H104N4O40 |
| Exact Mass | 1808.622684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoFTn3naxh |
|---|---|
| Name | METHYL-2-NAPHTHOYLAMIDO-3,4-DI-O-ACETYL-2-DEOXY-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H104N4O40 |
| InChI | InChI=1S/2C42H52N2O20/c2*1-20(45)43-33-30(58-22(3)47)17-42(41(53)55-9,64-38(33)36(61-25(6)50)31(59-23(4)48)18-56-21(2)46)57-19-32-35(60-24(5)49)37(62-26(7)51)34(40(54-8)63-32)44-39(52)29-15-14-27-12-10-11-13-28(27)16-29/h2*10-16,30-38,40H,17-19H2,1-9H3,(H,43,45)(H,44,52)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,40+,42+;30-,31-,32+,33+,34+,35+,36+,37+,38+,40+,42-/m00/s1 |
| InChIKey | BHCJRYDTUHKECP-NKYAGSMYSA-N |
| Literature Reference Author | L.A.J.M.SLIEDREGT,S.M.W.V.ROSSENBERG,R.AUTAR,A.R.P.M.VALENTI JN,G.A.V.D.MAREL, |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,85(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00224-8 |
| Molecular Weight | 1809.753 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21712 |